| 1 | M | 40.2 | Very low | 45.1 | Very low | 249 Ų | 249 | 126.5 Ų | 126.5 | 100% | 1.227 | 85% | 0.845 | S | S | * | * | | | | 0 | 93.7 | 0 | -69.8 | 168.3 | 167.5 | 0 | 0 | 106 | | |
| 2 | G | 39.8 | Very low | 44.9 | Very low | 83 Ų | 83 | 134.9 Ų | 134.9 | 86% | 0.856 | 85% | 0.849 | S | S | * | * | | | | 79.4 | 109.6 | 100.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 3 | G | 38.4 | Very low | 44.6 | Very low | 89 Ų | 89 | 131 Ų | 131 | 92% | 0.918 | 85% | 0.85 | S | S | * | * | | | cis | 97.4 | 109 | 37.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 4 | G | 42.2 | Very low | 44.6 | Very low | 62 Ų | 62 | 124.7 Ų | 124.7 | 64% | 0.639 | 82% | 0.821 | S | S | * | * | | | trans | 159.5 | 108.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 5 | Y | 49.3 | Very low | 44.4 | Very low | 233 Ų | 233 | 125.6 Ų | 125.6 | 91% | 0.914 | 83% | 0.831 | S | S | * | * | | | trans | 55.5 | 117.9 | 157.6 | 73.5 | -87.5 | 0 | 0 | 0 | 119 | | |
| 6 | G | 45.8 | Very low | 44.5 | Very low | 76 Ų | 76 | 130.7 Ų | 130.7 | 78% | 0.784 | 83% | 0.829 | S | S | * | * | | | cis | 97 | 88.1 | 16.2 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 7 | G | 46.1 | Very low | 44.4 | Very low | 80 Ų | 80 | 127.6 Ų | 127.6 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | | | trans | -173.9 | 55.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 8 | Y | 48.6 | Very low | 44.1 | Very low | 224 Ų | 224 | 125.6 Ų | 125.6 | 88% | 0.878 | 83% | 0.834 | S | S | * | * | | | trans | -89.7 | 112.1 | 159.3 | 49.3 | -88.3 | 0 | 0 | 0 | 107 | | |
| 9 | D | 53.5 | Low | 44 | Very low | 159 Ų | 159 | 121.9 Ų | 121.9 | 85% | 0.85 | 82% | 0.821 | S | S | * | * | | | trans | -126.8 | 101.8 | 160.6 | -170.7 | -110 | 0 | 0 | 0 | 106.5 | | |
| 10 | G | 48.4 | Very low | 44.1 | Very low | 75 Ų | 75 | 122.4 Ų | 122.4 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | | | trans | -87.7 | 125.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 11 | G | 43.4 | Very low | 44.1 | Very low | 61 Ų | 61 | 126.5 Ų | 126.5 | 63% | 0.629 | 82% | 0.822 | S | S | * | * | | | trans | -162.1 | 86.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 12 | Y | 42.7 | Very low | 44.2 | Very low | 228 Ų | 228 | 118.1 Ų | 118.1 | 89% | 0.894 | 80% | 0.799 | S | S | * | * | | | trans | -50.8 | 132.3 | 165.5 | 43.9 | -87 | 0 | 0 | 0 | 110.9 | | |
| 13 | G | 41.7 | Very low | 44.2 | Very low | 84 Ų | 84 | 118 Ų | 118 | 87% | 0.866 | 80% | 0.799 | S | S | * | * | | | trans | 140.7 | 82.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 14 | G | 44.6 | Very low | 44.7 | Very low | 43 Ų | 43 | 124 Ų | 124 | 44% | 0.443 | 80% | 0.795 | S | S | . | * | | | trans | -156.6 | 92.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110 | Y16 | G14-Y16 WeakPolarHBondContact O-CD1 3.36Å; G14-Y16 VanDerWaalsContact O-CD1 3.24Å; G14-Y16 VanDerWaalsContact O-N 3.12Å; G14-Y16 WeakPolarHBondContact O-CE1 3.48Å; G14-Y16 PolarHBondContact O-N 2.68Å |
| 15 | S | 41.3 | Very low | 44.7 | Very low | 138 Ų | 138 | 124.9 Ų | 124.9 | 97% | 0.965 | 80% | 0.804 | S | S | * | * | | | trans | -58.9 | 108.8 | 159.9 | -90.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 16 | Y | 45.5 | Very low | 44.6 | Very low | 207 Ų | 207 | 119.1 Ų | 119.1 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | | | trans | -140.4 | 127.2 | 163.9 | 30.9 | -102.2 | 0 | 0 | 0 | 109 | G14 | G14-Y16 WeakPolarHBondContact O-CD1 3.36Å; G14-Y16 VanDerWaalsContact O-CD1 3.24Å; G14-Y16 VanDerWaalsContact O-N 3.12Å; G14-Y16 WeakPolarHBondContact O-CE1 3.48Å; G14-Y16 PolarHBondContact O-N 2.68Å |
| 17 | G | 42.9 | Very low | 44.7 | Very low | 79 Ų | 79 | 123.2 Ų | 123.2 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | | | trans | 83.6 | 94.6 | 149.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 18 | G | 40 | Very low | 44.5 | Very low | 90 Ų | 90 | 122.7 Ų | 122.7 | 93% | 0.928 | 80% | 0.796 | S | S | * | * | | | trans | -52.8 | 142.9 | 158 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 19 | G | 41.6 | Very low | 44.1 | Very low | 56 Ų | 56 | 116.1 Ų | 116.1 | 58% | 0.577 | 80% | 0.797 | S | S | * | * | | | trans | -133 | 154.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111 | Y21 | G19-Y21 PolarHBondContact O-N 2.99Å; G19-Y21 VanDerWaalsContact O-N 3.17Å |
| 20 | P | 45.2 | Very low | 43.5 | Very low | 132 Ų | 132 | 112.3 Ų | 112.3 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -97.3 | 43.4 | -137.4 | 38 | -38.8 | 0 | 0 | 0 | 115.6 | | |
| 21 | Y | 44 | Very low | 43.1 | Very low | 209 Ų | 209 | 112.6 Ų | 112.6 | 82% | 0.82 | 80% | 0.798 | S | S | * | * | | | trans | -156.9 | 82 | -176.5 | 59 | -80.4 | 0 | 0 | 0 | 111.8 | G19 | G19-Y21 PolarHBondContact O-N 2.99Å; G19-Y21 VanDerWaalsContact O-N 3.17Å |
| 22 | G | 43.2 | Very low | 43.1 | Very low | 72 Ų | 72 | 113.5 Ų | 113.5 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | | | trans | -130.8 | 31.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y24 | G22-Y24 PolarHBondContact O-N 3.21Š|
| 23 | G | 40 | Very low | 42.8 | Very low | 82 Ų | 82 | 106.2 Ų | 106.2 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | | | trans | -86.7 | 98.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 24 | Y | 48.9 | Very low | 42.7 | Very low | 215 Ų | 215 | 106 Ų | 106 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | | | trans | -135.3 | 90.9 | 149.2 | 52.7 | -90.6 | 0 | 0 | 0 | 107.8 | G22 | G22-Y24 PolarHBondContact O-N 3.21Š|
| 25 | G | 43.2 | Very low | 42.6 | Very low | 80 Ų | 80 | 113.9 Ų | 113.9 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | | | trans | -73.2 | 131.1 | 156 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 26 | S | 45.4 | Very low | 42.5 | Very low | 112 Ų | 112 | 111 Ų | 111 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | | | trans | 157.2 | 97.5 | 145.5 | -175.1 | 0 | 0 | 0 | 0 | 109 | | |
| 27 | N | 48.2 | Very low | 42.2 | Very low | 162 Ų | 162 | 105 Ų | 105 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | | | | -173.8 | 120.6 | 123.7 | -144.3 | -82.3 | 0 | 0 | 0 | 111.1 | | |
| 28 | G | 41.7 | Very low | 42.1 | Very low | 69 Ų | 69 | 104.5 Ų | 104.5 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | | | trans | 97 | 91.2 | 137.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 29 | G | 40.9 | Very low | 42.1 | Very low | 86 Ų | 86 | 106.2 Ų | 106.2 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | | | trans | 79.8 | 119.9 | 147.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 30 | G | 40.8 | Very low | 42.1 | Very low | 79 Ų | 79 | 113.1 Ų | 113.1 | 81% | 0.814 | 80% | 0.795 | S | S | * | * | | | cis | 142.2 | 125.7 | 21 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 31 | G | 40.2 | Very low | 42.2 | Very low | 81 Ų | 81 | 110.6 Ų | 110.6 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | | | trans | 76.7 | 109 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 32 | G | 42.5 | Very low | 42.4 | Very low | 80 Ų | 80 | 104.9 Ų | 104.9 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | | | | 85.8 | 100.5 | 65.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 33 | G | 36.5 | Very low | 42.6 | Very low | 74 Ų | 74 | 104.8 Ų | 104.8 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | | | | 71.9 | 66.2 | 58.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 34 | A | 41 | Very low | 43.1 | Very low | 79 Ų | 79 | 113 Ų | 113 | 65% | 0.653 | 80% | 0.802 | S | S | * | * | | | trans | -152.2 | 101.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 35 | Y | 41.6 | Very low | 43.2 | Very low | 210 Ų | 210 | 105.9 Ų | 105.9 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | | | trans | -19.2 | 143.3 | 133.1 | 50.8 | -86 | 0 | 0 | 0 | 114.1 | | |
| 36 | G | 39.1 | Very low | 43.3 | Very low | 76 Ų | 76 | 107 Ų | 107 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | | | trans | 90.6 | 115.1 | 149 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 37 | G | 40.3 | Very low | 43.4 | Very low | 83 Ų | 83 | 109.2 Ų | 109.2 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | | | | 59.4 | 109.9 | 123.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 38 | G | 41 | Very low | 43.2 | Very low | 67 Ų | 67 | 109.5 Ų | 109.5 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | | | | 90.9 | 113.5 | 128.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 39 | N | 39.6 | Very low | 43.5 | Very low | 127 Ų | 127 | 113.7 Ų | 113.7 | 68% | 0.679 | 79% | 0.789 | S | S | * | * | | | | 87.2 | 138.7 | 124.1 | -142.3 | -1.8 | 0 | 0 | 0 | 118 | | |
| 40 | Y | 40.4 | Very low | 43.8 | Very low | 200 Ų | 200 | 116.6 Ų | 116.6 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | | | trans | 53.8 | 114.1 | 162.6 | 31.9 | -112.8 | 0 | 0 | 0 | 123 | | |
| 41 | G | 46.9 | Very low | 43.7 | Very low | 80 Ų | 80 | 116.3 Ų | 116.3 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | | | trans | 150.5 | 90 | 154.1 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 42 | G | 48.5 | Very low | 44.1 | Very low | 89 Ų | 89 | 119.5 Ų | 119.5 | 92% | 0.918 | 78% | 0.779 | S | S | * | * | | | | 73 | 113.8 | 68.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 43 | G | 48.8 | Very low | 44.1 | Very low | 69 Ų | 69 | 119.3 Ų | 119.3 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | | | cis | 165.4 | 159.7 | 8.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 44 | W | 49.4 | Very low | 44.5 | Very low | 255 Ų | 255 | 121.8 Ų | 121.8 | 97% | 0.966 | 78% | 0.78 | S | S | * | * | | | trans | 168.8 | 84.2 | 156.9 | 45.4 | -14.2 | 0 | 0 | 0 | 104.7 | | |
| 45 | G | 51.5 | Low | 44.7 | Very low | 66 Ų | 66 | 121.6 Ų | 121.6 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | | | | 93.3 | 144.5 | 84 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 46 | P | 45.3 | Very low | 45.1 | Very low | 104 Ų | 104 | 122.8 Ų | 122.8 | 68% | 0.675 | 79% | 0.789 | S | S | * | * | | | trans | -83.7 | 130.5 | -143.7 | 31.9 | -33 | 0 | 0 | 0 | 113.2 | H48 | P46-H48 HydrophobicContact CB-CB 4.1Å; P46-H48 VanDerWaalsContact CB-CD2 3.48Å; P46-H48 WeakPolarHBondContact CB-CD2 3.16Å; P46-H48 PolarHBondContact O-N 3.07Å |
| 47 | N | 46.8 | Very low | 45.7 | Very low | 158 Ų | 158 | 122.1 Ų | 122.1 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | | | trans | -88.6 | 61 | 149.1 | -86.6 | -68.4 | 0 | 0 | 0 | 109 | M49 | N47-M49 PolarHBondContact O-N 3.38Š|
| 48 | H | 44 | Very low | 45.9 | Very low | 167 Ų | 167 | 127.8 Ų | 127.8 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | | | trans | -74 | 82.9 | 152.4 | -82.2 | -127.9 | 0 | 0 | 0 | 106.7 | P46 | P46-H48 HydrophobicContact CB-CB 4.1Å; P46-H48 VanDerWaalsContact CB-CD2 3.48Å; P46-H48 WeakPolarHBondContact CB-CD2 3.16Å; P46-H48 PolarHBondContact O-N 3.07Å |
| 49 | M | 49.1 | Very low | 46.3 | Very low | 157 Ų | 157 | 127.9 Ų | 127.9 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -126.6 | 92.6 | 152.4 | -69.9 | -156.2 | -161 | 0 | 0 | 106.4 | N47 | N47-M49 PolarHBondContact O-N 3.38Š|
| 50 | N | 46.2 | Very low | 46.8 | Very low | 147 Ų | 147 | 125.1 Ų | 125.1 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | | | trans | 77.5 | 51.7 | 169.8 | -45.1 | -51.9 | 0 | 0 | 0 | 115.4 | D52 | N50-D52 PolarHBondContact O-N 2.93Å; N50-D52 VanDerWaalsContact C-N 3.27Å |
| 51 | G | 39.9 | Very low | 47.3 | Very low | 74 Ų | 74 | 125.3 Ų | 125.3 | 76% | 0.763 | 80% | 0.799 | S | S | * | * | | | trans | -84.3 | 74.1 | 150.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 52 | D | 47.3 | Very low | 47.6 | Very low | 147 Ų | 147 | 124.6 Ų | 124.6 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | | | trans | -138.6 | 122.4 | 165.7 | -71.7 | -64.3 | 0 | 0 | 0 | 105.5 | N50 | N50-D52 PolarHBondContact O-N 2.93Å; N50-D52 VanDerWaalsContact C-N 3.27Å |
| 53 | G | 43.1 | Very low | 48 | Very low | 76 Ų | 76 | 126.9 Ų | 126.9 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | | | trans | -60.4 | -170.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 54 | P | 45 | Very low | 48.1 | Very low | 126 Ų | 126 | 127.3 Ų | 127.3 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | cis | -140.5 | 179.2 | 42.6 | 36.3 | -14.6 | 0 | 0 | 0 | 114 | | |
| 55 | G | 44.6 | Very low | 48.3 | Very low | 76 Ų | 76 | 124.7 Ų | 124.7 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | | | trans | -65.1 | 160 | -175 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 56 | W | 51.1 | Low | 48.4 | Very low | 234 Ų | 234 | 124.4 Ų | 124.4 | 89% | 0.886 | 78% | 0.781 | S | S | * | * | | | trans | -142 | 92.2 | 147.1 | 44.7 | -85.2 | 0 | 0 | 0 | 102.6 | | |
| 57 | G | 50.1 | Low | 48.9 | Very low | 62 Ų | 62 | 128.6 Ų | 128.6 | 64% | 0.639 | 79% | 0.791 | S | S | * | * | | | | 58.3 | 85.5 | 65 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 58 | Q | 45 | Very low | 49.2 | Very low | 203 Ų | 203 | 131.9 Ų | 131.9 | 95% | 0.949 | 79% | 0.793 | S | S | * | * | | | | 73.4 | 136.4 | 99.3 | -173.5 | -174.4 | 39.6 | 0 | 0 | 112.7 | | |
| 59 | G | 50.6 | Low | 49.7 | Very low | 68 Ų | 68 | 127 Ų | 127 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | | | trans | 115.8 | 101.2 | 156.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 60 | G | 49 | Very low | 50 | Low | 70 Ų | 70 | 127.2 Ų | 127.2 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | S | Bend | cis | 72.2 | 89.8 | 38.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | G62 | G60-G62 PolarHBondContact O-N 3.29Š|
| 61 | M | 51.1 | Low | 50.5 | Low | 203 Ų | 203 | 128.7 Ų | 128.7 | 100% | 1 | 79% | 0.794 | S | S | * | * | | | trans | 31.7 | 65.3 | 159.3 | -62.3 | 168 | -178.8 | 0 | 0 | 115 | | |
| 62 | G | 53.5 | Low | 51.2 | Low | 65 Ų | 65 | 134.2 Ų | 134.2 | 67% | 0.67 | 80% | 0.8 | S | S | * | * | | | trans | -82.8 | 120.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111 | G60 G64 | G60-G62 PolarHBondContact O-N 3.29Å; G62-G64 PolarHBondContact O-N 2.92Å |
| 63 | D | 56.1 | Low | 51.7 | Low | 138 Ų | 138 | 133 Ų | 133 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | | | trans | -45.7 | 89.3 | 172.5 | 51.9 | -59.8 | 0 | 0 | 0 | 114.5 | F65 | D63-F65 WeakPolarHBondContact O-CD2 3.24Å; D63-F65 PolarHBondContact O-N 2.76Å |
| 64 | G | 52 | Low | 52.3 | Low | 78 Ų | 78 | 140.1 Ų | 140.1 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | S | Bend | trans | 60.9 | -3.3 | 141.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | G62 | G62-G64 PolarHBondContact O-N 2.92Š|
| 65 | F | 53.3 | Low | 53 | Low | 199 Ų | 199 | 136.9 Ų | 136.9 | 87% | 0.873 | 78% | 0.782 | S | S | * | * | | | trans | -129.5 | 103.5 | -175.7 | -66 | -80.9 | 0 | 0 | 0 | 109.8 | D63 | D63-F65 WeakPolarHBondContact O-CD2 3.24Å; D63-F65 PolarHBondContact O-N 2.76Å |
| 66 | G | 54.1 | Low | 53.9 | Low | 61 Ų | 61 | 136.7 Ų | 136.7 | 63% | 0.629 | 78% | 0.781 | S | S | * | * | | | trans | 133.9 | 49.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 116 | Y68 | G66-Y68 VanDerWaalsContact C-N 3.33Å; G66-Y68 PolarHBondContact O-N 3Å |
| 67 | H | 54.6 | Low | 55 | Low | 192 Ų | 192 | 127.6 Ų | 127.6 | 89% | 0.889 | 76% | 0.759 | S | S | * | * | | | trans | -88.9 | 68.1 | 172.4 | -122.7 | 87.9 | 0 | 0 | 0 | 110.6 | | |
| 68 | Y | 52.9 | Low | 56 | Low | 226 Ų | 226 | 131.2 Ų | 131.2 | 89% | 0.886 | 77% | 0.772 | S | S | * | * | | | trans | -132.7 | 45.3 | 170.3 | -41 | -75.6 | 0 | 0 | 0 | 111 | G66 | G66-Y68 VanDerWaalsContact C-N 3.33Å; G66-Y68 PolarHBondContact O-N 3Å |
| 69 | G | 54.9 | Low | 57.3 | Low | 65 Ų | 65 | 129.5 Ų | 129.5 | 67% | 0.67 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -110.9 | 105.8 | 167 | 0 | 0 | 0 | 0 | 0 | 107.9 | Q71 | G69-Q71 PolarHBondContact O-N 3.24Š|
| 70 | N | 56.7 | Low | 58.5 | Low | 162 Ų | 162 | 138 Ų | 138 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | | | trans | -43.9 | 131.5 | 173.7 | -98.4 | -64.2 | 0 | 0 | 0 | 109.9 | Q72 | N70-Q72 PolarHBondContact O-N 3.2Š|
| 71 | Q | 55.9 | Low | 59.6 | Low | 177 Ų | 177 | 137.7 Ų | 137.7 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | | | trans | -48.1 | 110 | 175.5 | -64.7 | 176.5 | -24.4 | 0 | 0 | 108.5 | G69 N73 | G69-Q71 PolarHBondContact O-N 3.24Å; Q71-N73 PolarHBondContact O-N 2.89Å |
| 72 | Q | 55.1 | Low | 60.6 | Low | 190 Ų | 190 | 131 Ų | 131 | 89% | 0.888 | 76% | 0.757 | S | S | * | * | | | trans | -71.5 | 72.2 | 167.9 | -69.1 | 174.4 | -26.9 | 0 | 0 | 106.9 | N70 Y74 | N70-Q72 PolarHBondContact O-N 3.2Å; Q72-Y74 PolarHBondContact O-N 3.46Å |
| 73 | N | 57.9 | Low | 61 | Low | 123 Ų | 123 | 133.1 Ų | 133.1 | 66% | 0.658 | 76% | 0.759 | S | S | * | * | | | trans | -76.8 | 80.6 | 171.7 | -163.2 | -42.6 | 0 | 0 | 0 | 106.9 | Q71 A75 | Q71-N73 PolarHBondContact O-N 2.89Å; N73-A75 PolarHBondContact O-N 3.36Å; N73-A75 PolarHBondContact OD1-N 3.24Å |
| 74 | Y | 54.4 | Low | 60.8 | Low | 225 Ų | 225 | 133.1 Ų | 133.1 | 88% | 0.882 | 77% | 0.766 | S | S | * | * | | | trans | -71.4 | 78.2 | 166.5 | -123.9 | -90.4 | 0 | 0 | 0 | 107.3 | Q72 G76 | Q72-Y74 PolarHBondContact O-N 3.46Å; Y74-G76 PolarHBondContact O-N 2.94Å |
| 75 | A | 60.8 | Low | 60.8 | Low | 57 Ų | 57 | 132 Ų | 132 | 47% | 0.471 | 76% | 0.756 | S | S | . | * | | | trans | -75.4 | 39.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | N73 G77 | N73-A75 PolarHBondContact O-N 3.36Å; N73-A75 PolarHBondContact OD1-N 3.24Å; A75-G77 PolarHBondContact O-N 2.96Å |
| 76 | G | 62.8 | Low | 60.7 | Low | 73 Ų | 73 | 125 Ų | 125 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | | | trans | -72.2 | 23.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y74 | Y74-G76 PolarHBondContact O-N 2.94Š|
| 77 | G | 74.4 | Confident | 60.7 | Low | 42 Ų | 42 | 130.6 Ų | 130.6 | 43% | 0.433 | 74% | 0.743 | S | S | . | * | S | Bend | trans | -127.9 | 162.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | A75 M79 | A75-G77 PolarHBondContact O-N 2.96Å; G77-M79 PolarHBondContact O-N 2.93Å |
| 78 | P | 71.1 | Confident | 60.8 | Low | 139 Ų | 139 | 130.6 Ų | 130.6 | 90% | 0.903 | 74% | 0.743 | S | S | * | * | | | trans | -57.9 | 127.7 | 176.9 | 24.6 | -32.9 | 0 | 0 | 0 | 110.2 | R80 | P78-R80 PolarHBondContact O-N 2.87Š|
| 79 | M | 72 | Confident | 60.9 | Low | 167 Ų | 167 | 128.8 Ų | 128.8 | 82% | 0.823 | 74% | 0.735 | S | S | * | * | | | trans | -66.9 | 125.2 | 175.2 | -62.4 | -179.6 | -173.8 | 0 | 0 | 109 | G77 G81 | G77-M79 PolarHBondContact O-N 2.93Å; M79-G81 PolarHBondContact O-N 3.35Å; M79-G81 VanDerWaalsContact O-N 3.13Å |
| 80 | R | 75.1 | Confident | 60.9 | Low | 245 Ų | 245 | 133.2 Ų | 133.2 | 93% | 0.925 | 74% | 0.743 | S | S | * | * | | | trans | -66.6 | 113.6 | 170.8 | -174.8 | 177.7 | -177.9 | -150.8 | 1.1 | 108.2 | P78 G82 | P78-R80 PolarHBondContact O-N 2.87Å; R80-G82 PolarHBondContact O-N 3.24Å |
| 81 | G | 73.5 | Confident | 60.9 | Low | 65 Ų | 65 | 127.8 Ų | 127.8 | 67% | 0.67 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 134.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | M79 | M79-G81 PolarHBondContact O-N 3.35Å; M79-G81 VanDerWaalsContact O-N 3.13Å |
| 82 | G | 72.2 | Confident | 61.1 | Low | 63 Ų | 63 | 125.7 Ų | 125.7 | 65% | 0.649 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 161.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R80 | R80-G82 PolarHBondContact O-N 3.24Š|
| 83 | P | 61.1 | Low | 61.1 | Low | 109 Ų | 109 | 125.7 Ų | 125.7 | 71% | 0.708 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 142.4 | 176 | 26.1 | -33.7 | 0 | 0 | 0 | 110.5 | G85 | P83-G85 PolarHBondContact O-N 2.84Å; P83-G85 VanDerWaalsContact O-N 3.11Å |
| 84 | P | 53.1 | Low | 60.8 | Low | 137 Ų | 137 | 122.3 Ų | 122.3 | 89% | 0.89 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | 117.1 | 174 | 23.8 | -30.6 | 0 | 0 | 0 | 108.9 | | |
| 85 | G | 51.8 | Low | 60.8 | Low | 56 Ų | 56 | 114.1 Ų | 114.1 | 58% | 0.577 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.6 | 60.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | P83 Y87 | P83-G85 PolarHBondContact O-N 2.84Å; P83-G85 VanDerWaalsContact O-N 3.11Å; G85-Y87 PolarHBondContact O-N 2.72Å; G85-Y87 VanDerWaalsContact O-N 3.13Å |
| 86 | G | 51 | Low | 60.3 | Low | 52 Ų | 52 | 115.3 Ų | 115.3 | 54% | 0.536 | 71% | 0.711 | S | S | . | * | | | trans | -70.5 | 99.8 | 157.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q88 | G86-Q88 VanDerWaalsContact C-N 3.3Å; G86-Q88 PolarHBondContact O-N 3.43Å |
| 87 | Y | 54.5 | Low | 59.9 | Low | 177 Ų | 177 | 121.1 Ų | 121.1 | 69% | 0.694 | 71% | 0.712 | S | S | * | * | | | trans | -59.9 | 99.7 | 164 | -9.9 | -94 | 0 | 0 | 0 | 106.5 | G85 R89 | G85-Y87 PolarHBondContact O-N 2.72Å; G85-Y87 VanDerWaalsContact O-N 3.13Å; Y87-R89 PolarHBondContact O-N 3.13Å |
| 88 | Q | 55.7 | Low | 59 | Low | 193 Ų | 193 | 122.8 Ų | 122.8 | 90% | 0.902 | 73% | 0.729 | S | S | * | * | | | trans | -66 | 81.4 | 172.4 | -69.6 | 177.1 | -30.2 | 0 | 0 | 107.5 | G86 | G86-Q88 VanDerWaalsContact C-N 3.3Å; G86-Q88 PolarHBondContact O-N 3.43Å |
| 89 | R | 55.9 | Low | 58.3 | Low | 188 Ų | 188 | 128 Ų | 128 | 71% | 0.709 | 73% | 0.731 | S | S | * | * | | | trans | -102.7 | 39.2 | -179.8 | -75.4 | -173.8 | -77.3 | 178.8 | -9.6 | 110.7 | Y87 | Y87-R89 PolarHBondContact O-N 3.13Š|
| 90 | N | 54 | Low | 57.2 | Low | 158 Ų | 158 | 135.2 Ų | 135.2 | 85% | 0.845 | 75% | 0.749 | S | S | * | * | | | trans | -113.2 | 70.5 | -171.7 | -74.5 | -18.3 | 0 | 0 | 0 | 111.5 | | |
| 91 | A | 57.7 | Low | 56.4 | Low | 47 Ų | 47 | 129.7 Ų | 129.7 | 39% | 0.388 | 74% | 0.74 | S | S | . | * | | | trans | 171.2 | 150.4 | 136.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y93 G94 | A91-Y93 HydrophobicContact CB-CD2 4.34Å; A91-Y93 HydrophobicContact CB-CE2 4.35Å; A91-Y93 PolarHBondContact O-N 3.11Å; A91-G94 VanDerWaalsContact CB-CA 3.48Å; A91-G94 PolarHBondContact O-N 3.13Å |
| 92 | P | 59.9 | Low | 55.4 | Low | 134 Ų | 134 | 133.1 Ų | 133.1 | 87% | 0.87 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -14.3 | 173.6 | 20.9 | -27.7 | 0 | 0 | 0 | 113.1 | | |
| 93 | Y | 55.3 | Low | 54.5 | Low | 190 Ų | 190 | 137 Ų | 137 | 75% | 0.745 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.7 | 28 | 174.6 | 45.8 | -96.9 | 0 | 0 | 0 | 111 | A91 G95 | A91-Y93 HydrophobicContact CB-CD2 4.34Å; A91-Y93 HydrophobicContact CB-CE2 4.35Å; A91-Y93 PolarHBondContact O-N 3.11Å; Y93-G95 PolarHBondContact O-N 3.12Å |
| 94 | G | 51.2 | Low | 54.1 | Low | 52 Ų | 52 | 138.6 Ų | 138.6 | 54% | 0.536 | 75% | 0.751 | S | S | . | * | S | Bend | trans | -72.4 | 90.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A91 | A91-G94 VanDerWaalsContact CB-CA 3.48Å; A91-G94 PolarHBondContact O-N 3.13Å |
| 95 | G | 54 | Low | 54.2 | Low | 53 Ų | 53 | 138.8 Ų | 138.8 | 55% | 0.546 | 74% | 0.743 | S | S | . | * | S | Bend | trans | 108.9 | -7.9 | 160.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y93 Y97 | Y93-G95 PolarHBondContact O-N 3.12Å; G95-Y97 VanDerWaalsContact C-N 3.3Å; G95-Y97 PolarHBondContact O-N 3.48Å |
| 96 | G | 49.6 | Very low | 54.4 | Low | 81 Ų | 81 | 144.3 Ų | 144.3 | 84% | 0.835 | 75% | 0.754 | S | S | * | * | | | trans | -88.6 | 45 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 97 | Y | 56 | Low | 54.6 | Low | 195 Ų | 195 | 150.9 Ų | 150.9 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | | | trans | -96.6 | 116.6 | 166.4 | 43 | -94.3 | 0 | 0 | 0 | 109.4 | G95 | G95-Y97 VanDerWaalsContact C-N 3.3Å; G95-Y97 PolarHBondContact O-N 3.48Å |
| 98 | G | 53.7 | Low | 54.6 | Low | 77 Ų | 77 | 148.8 Ų | 148.8 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | | | trans | 91.1 | 27.8 | 137.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | R100 | G98-R100 PolarHBondContact O-N 3.17Š|
| 99 | R | 57.6 | Low | 54.5 | Low | 249 Ų | 249 | 145.2 Ų | 145.2 | 94% | 0.94 | 76% | 0.764 | S | S | * | * | | | trans | -83.1 | 96.6 | 153.9 | -71.1 | -158.3 | -67 | -134.1 | 0.9 | 109.2 | | |
| 100 | R | 49.3 | Very low | 54.4 | Low | 318 Ų | 318 | 141.3 Ų | 141.3 | 100% | 1.2 | 77% | 0.769 | S | S | * | * | | | trans | -68 | 0 | 150 | -67.1 | -176.9 | -172.3 | -179.6 | 2.6 | 108.7 | G98 | G98-R100 PolarHBondContact O-N 3.17Š|